2-(9,9-dimethylacridin-10-yl)-6-phenothiazin-10-yl-N-(4-pyrazin-2-ylphenyl)-N-(4-pyridin-4-ylphenyl)pyridin-4-amine

C53H39N7S — CID 154990061

IUPAC2-(9,9-dimethylacridin-10-yl)-6-phenothiazin-10-yl-N-(4-pyrazin-2-ylphenyl)-N-(4-pyridin-4-ylphenyl)pyridin-4-amine
SMILESCC1(C)c2ccccc2N(c2cc(N(c3ccc(-c4ccncc4)cc3)c3ccc(-c4cnccn4)cc3)cc(N3c4ccccc4Sc4ccccc43)n2)c2ccccc21
InChIInChI=1S/C53H39N7S/c1-53(2)42-11-3-5-13-45(42)59(46-14-6-4-12-43(46)53)51-33-41(34-52(57-51)60-47-15-7-9-17-49(47)61-50-18-10-8-16-48(50)60)58(39-23-19-36(20-24-39)37-27-29-54-30-28-37)40-25-21-38(22-26-40)44-35-55-31-32-56-44/h3-35H,1-2H3
InChIKeyFTNSEAQUODOVDA-UHFFFAOYSA-N
MW806.01 g/mol
LogP14.11
Rot. Bonds7

About 2-(9,9-dimethylacridin-10-yl)-6-phenothiazin-10-yl-N-(4-pyrazin-2-ylphenyl)-N-(4-pyridin-4-ylphenyl)pyridin-4-amine

2-(9,9-dimethylacridin-10-yl)-6-phenothiazin-10-yl-N-(4-pyrazin-2-ylphenyl)-N-(4-pyridin-4-ylphenyl)pyridin-4-amine (PubChem CID 154990061) has the molecular formula C53H39N7S and a molecular weight of 806.01 g/mol. Its IUPAC name is 2-(9,9-dimethylacridin-10-yl)-6-phenothiazin-10-yl-N-(4-pyrazin-2-ylphenyl)-N-(4-pyridin-4-ylphenyl)pyridin-4-amine.

Molecular Properties

Compound Name2-(9,9-dimethylacridin-10-yl)-6-phenothiazin-10-yl-N-(4-pyrazin-2-ylphenyl)-N-(4-pyridin-4-ylphenyl)pyridin-4-amine
PubChem CID154990061
Molecular FormulaC53H39N7S
Molecular Weight806.01 g/mol
Exact Mass805.30
IUPAC Name2-(9,9-dimethylacridin-10-yl)-6-phenothiazin-10-yl-N-(4-pyrazin-2-ylphenyl)-N-(4-pyridin-4-ylphenyl)pyridin-4-amine
SMILESCC1(C)c2ccccc2N(c2cc(N(c3ccc(-c4ccncc4)cc3)c3ccc(-c4cnccn4)cc3)cc(N3c4ccccc4Sc4ccccc43)n2)c2ccccc21
InChIInChI=1S/C53H39N7S/c1-53(2)42-11-3-5-13-45(42)59(46-14-6-4-12-43(46)53)51-33-41(34-52(57-51)60-47-15-7-9-17-49(47)61-50-18-10-8-16-48(50)60)58(39-23-19-36(20-24-39)37-27-29-54-30-28-37)40-25-21-38(22-26-40)44-35-55-31-32-56-44/h3-35H,1-2H3
InChIKeyFTNSEAQUODOVDA-UHFFFAOYSA-N
XLogP14.11
TPSA61.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500806.01
LogP ≤ 514.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-carbazol-9-yl-6-(9,9-dimethylacridin-10-yl)-N-(4-pyrazin-2-ylphenyl)-N-(4-pyrimidin-4-ylphenyl)pyridin-4-amine;2-carbazol-9-yl-6-phenothiazin-10-yl-N-(4-pyridin-2-ylphenyl)-N-(4-pyridin-4-ylphenyl)pyridin-4-amine;2-carbazol-9-yl-6-phenoxazin-10-yl-N-(4-pyridin-4-ylphenyl)-N-(4-pyrimidin-5-ylphenyl)pyridin-4-amine
CID 167567333
2-carbazol-9-yl-6-(9,9-dimethylacridin-10-yl)-N-(4-pyrazin-2-ylphenyl)-N-(4-pyrimidin-4-ylphenyl)pyridin-4-amine
CID 154990066
2,6-di(phenoxazin-10-yl)-N,N-bis(4-pyridin-4-ylphenyl)pyridin-4-amine
CID 154990017
4,6-di(phenothiazin-10-yl)-N,N-bis(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-amine
CID 154990044
3-(9,9-dimethyl-10-phenylacridin-3-yl)-N-(4-phenylphenyl)-N-(4-pyridin-2-ylphenyl)aniline
CID 121259013
9-[6-(5,5-dimethylbenzo[b][1,7]naphthyridin-10-yl)-2-pyridinyl]-N,N-diphenylcarbazol-3-amine
CID 154589708
10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-1,3,5-triazin-2-yl]phenyl]phenothiazine
CID 118528525
4-(9,9-dimethylspiro[anthracene-10,9'-thioxanthene]-2-yl)pyridine
CID 146495369
3,5-bis(9,9-dimethylacridin-10-yl)-N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-(4-pyridin-4-ylphenyl)aniline;N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,5-di(phenoxazin-10-yl)-N-(4-pyridin-4-ylphenyl)aniline;N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-(4-pyridin-4-ylphenyl)-3,5-bis(2,3,6,7-tetramethylcarbazol-9-yl)aniline
CID 160531607
4,6-di(phenoxazin-10-yl)-N,N-bis(4-pyridin-4-ylphenyl)pyrimidin-2-amine
CID 154990018
4-(9,9-dimethyl-10-phenylacridin-3-yl)-N,N-diphenylaniline
CID 121258967
10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine;10-[4-[4-(4-phenothiazin-10-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine;10-[3-phenothiazin-10-yl-5-(6-phenyl-2-pyridinyl)phenyl]phenothiazine
CID 158999619

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-dimethylacridin-10-yl)-6-phenothiazin-10-yl-N-(4-pyrazin-2-ylphenyl)-N-(4-pyridin-4-ylphenyl)pyridin-4-amine?
The IUPAC name of 2-(9,9-dimethylacridin-10-yl)-6-phenothiazin-10-yl-N-(4-pyrazin-2-ylphenyl)-N-(4-pyridin-4-ylphenyl)pyridin-4-amine (CID 154990061) is 2-(9,9-dimethylacridin-10-yl)-6-phenothiazin-10-yl-N-(4-pyrazin-2-ylphenyl)-N-(4-pyridin-4-ylphenyl)pyridin-4-amine.
What is the SMILES notation for 2-(9,9-dimethylacridin-10-yl)-6-phenothiazin-10-yl-N-(4-pyrazin-2-ylphenyl)-N-(4-pyridin-4-ylphenyl)pyridin-4-amine?
The canonical SMILES for 2-(9,9-dimethylacridin-10-yl)-6-phenothiazin-10-yl-N-(4-pyrazin-2-ylphenyl)-N-(4-pyridin-4-ylphenyl)pyridin-4-amine is CC1(C)c2ccccc2N(c2cc(N(c3ccc(-c4ccncc4)cc3)c3ccc(-c4cnccn4)cc3)cc(N3c4ccccc4Sc4ccccc43)n2)c2ccccc21.
What is the InChIKey of 2-(9,9-dimethylacridin-10-yl)-6-phenothiazin-10-yl-N-(4-pyrazin-2-ylphenyl)-N-(4-pyridin-4-ylphenyl)pyridin-4-amine?
The InChIKey is FTNSEAQUODOVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H39N7S/c1-53(2)42-11-3-5-13-45(42)59(46-14-6-4-12-43(46)53)51-33-41(34-52(57-51)60-47-15-7-9-17-49(47)61-50-18-10-8-16-48(50)60)58(39-23-19-36(20-24-39)37-27-29-54-30-28-37)40-25-21-38(22-26-40)44-35-55-31-32-56-44/h3-35H,1-2H3.
What are the key properties of 2-(9,9-dimethylacridin-10-yl)-6-phenothiazin-10-yl-N-(4-pyrazin-2-ylphenyl)-N-(4-pyridin-4-ylphenyl)pyridin-4-amine?
2-(9,9-dimethylacridin-10-yl)-6-phenothiazin-10-yl-N-(4-pyrazin-2-ylphenyl)-N-(4-pyridin-4-ylphenyl)pyridin-4-amine has a molecular weight of 806.01 g/mol, XLogP of 14.11, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9-dimethylacridin-10-yl)-6-phenothiazin-10-yl-N-(4-pyrazin-2-ylphenyl)-N-(4-pyridin-4-ylphenyl)pyridin-4-amine is sourced from PubChem (CID 154990061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).